5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

C14H16N2O3S2 — CID 2594407

IUPAC5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C14H16N2O3S2/c1-9-3-8-13(20-9)14(17)16-10(2)11-4-6-12(7-5-11)21(15,18)19/h3-8,10H,1-2H3,(H,16,17)(H2,15,18,19)/t10-/m0/s1
InChIKeyYMGDGLQGMIAROS-JTQLQIEISA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds4

About 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 2594407) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID2594407
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C14H16N2O3S2/c1-9-3-8-13(20-9)14(17)16-10(2)11-4-6-12(7-5-11)21(15,18)19/h3-8,10H,1-2H3,(H,16,17)(H2,15,18,19)/t10-/m0/s1
InChIKeyYMGDGLQGMIAROS-JTQLQIEISA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41096263
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 55333294
2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 60668873

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (CID 2594407) is 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is YMGDGLQGMIAROS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-3-8-13(20-9)14(17)16-10(2)11-4-6-12(7-5-11)21(15,18)19/h3-8,10H,1-2H3,(H,16,17)(H2,15,18,19)/t10-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2594407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).